(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride

C14H24ClN3O2S — CID 154898078

IUPAC(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCC(C)[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1N(C)C.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-11(2)13-9-17(10-14(13)16(3)4)20(18,19)12-6-5-7-15-8-12;/h5-8,11,13-14H,9-10H2,1-4H3;1H/t13-,14+;/m1./s1
InChIKeyKCJXHKGXWKTFNA-DFQHDRSWSA-N
MW333.89 g/mol
LogP1.71
Rot. Bonds4

About (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride

(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 154898078) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID154898078
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCC(C)[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1N(C)C.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-11(2)13-9-17(10-14(13)16(3)4)20(18,19)12-6-5-7-15-8-12;/h5-8,11,13-14H,9-10H2,1-4H3;1H/t13-,14+;/m1./s1
InChIKeyKCJXHKGXWKTFNA-DFQHDRSWSA-N
XLogP1.71
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
CID 95815582
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
(3R,4S)-N-benzyl-3-(dimethylamino)-N-methyl-4-propan-2-ylpyrrolidine-1-sulfonamide
CID 164629694
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine
CID 66195772
3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine
CID 143257621
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602604
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride (CID 154898078) is (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride is CC(C)[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1N(C)C.Cl.
What is the InChIKey of (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is KCJXHKGXWKTFNA-DFQHDRSWSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-11(2)13-9-17(10-14(13)16(3)4)20(18,19)12-6-5-7-15-8-12;/h5-8,11,13-14H,9-10H2,1-4H3;1H/t13-,14+;/m1./s1.
What are the key properties of (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride?
(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 154898078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).